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| CAS No.: | 878-17-1 |
|---|---|
| Name: | p-Tolyl phosphorodichloridate |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C7H7Cl2O2P |
| Molecular Weight: | 225.011 |
| Synonyms: | Phosphorodichloridicacid, p-tolyl ester (8CI);p-Cresol, phosphorodichloridate (7CI);p-Tolylphosphorodichloridate (6CI);4-Methylphenyl dichlorophosphinate;4-Methylphenylphosphorodichloridate;4-Tolyl dichlorophosphate;4-Tolylphosphorodichloridate;NSC 66506;Phosphoroyl dichloride p-tolyl ester;p-Methylphenyl phosphorodichloridate;p-Tolyl dichlorophosphate; |
| Density: | 1.405g/cm3 |
| Boiling Point: | 265.2 °C at 760 mmHg |
| Flash Point: | 129 °C |
| PSA: | 36.11000 |
| LogP: | 3.95950 |
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Specification
The Phosphorodichloridicacid, 4-methylphenyl ester, with CAS registry number 878-17-1, has the systematic name of 4-methylphenyl phosphorodichloridate. Besides this, it is also called p-Tolyl phosphorodichloridate. And the chemical formula of this chemical is C7H7Cl2O2P.
Physical properties of Phosphorodichloridicacid, 4-methylphenyl ester: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 36.11 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 49.69 cm3; (9)Molar Volume: 160.1 cm3; (10)Polarizability: 19.7×10-24cm3; (11)Surface Tension: 43.3 dyne/cm; (12)Density: 1.405 g/cm3; (13)Flash Point: 129 °C; (14)Enthalpy of Vaporization: 48.28 kJ/mol; (15)Boiling Point: 265.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0153 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=P(Cl)(Cl)Oc1ccc(cc1)C
(2)InChI: InChI=1/C7H7Cl2O2P/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3
(3)InChIKey: OSDCKQFKYUESEG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H7Cl2O2P/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3
(5)Std. InChIKey: OSDCKQFKYUESEG-UHFFFAOYSA-N